TABLE 2.
Data collection and refinement statistics
| Fab410-BfAChE complex | |
|---|---|
| Data collectiona | |
| Beamline (ESRFb) | ID29 |
| Space group | P21212 |
| Cell parameters (Å) | a = 156.59, b = 251.34, c = 73.98 |
| Resolution range (Å) | 78–2.7 |
| Total observations | 357,674 |
| Unique reflections | 81,126 |
| Multiplicity | 4.4 (4.2) |
| Completeness (%) | 99.9 (99.4) |
| ((I)/σ(I)) | 10.2 (2.0) |
| Rsymc | 10.5 (59.4) |
| B Wilson (Å2) | 64.1 |
| Refinementd | |
| R-factor /Rfree (%) | 20.2 (22.8)/24.1 (29.2) |
| r.m.s.d.e | |
| Bonds (Å)/angles (°) | 0.01/1.25 |
| Chiral volume (Å3) | 0.087 |
| Mean B-factors (Å) | |
| Main/side chains | 45.9/48.1 |
| Solvent | 46.6 |
| Ramachandran plotf | |
| Residues in favored/outlier regions (%) | 96.9/0.2 |
| PDB accession code | 4QWW |
a Values in parentheses are those for the highest resolution shell.
b European Synchrotron Radiation Facility.
c Rsym = Σhkl(Σi|Ihkl − 〈Ihkl〉|)/Σhkl|〈Ihkl〉|.
d R-factor = Σhkl‖Fo| − |Fc‖/Σhkl|Fo|. Rfree is calculated for 2% of randomly selected reflections excluded from refinement.
e Root mean square deviations from ideal geometry.
f Ramachandran plot statistics have been calculated with the MolProbity server.